#------------------------------------------------------------------------------
#$Date: 2016-09-16 17:09:56 +0200 (vie 16 de sep de 2016) $
#$Revision: 186594 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/51/1525144.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1525144
loop_
_publ_author_name
'Rau, V.G.'
'Kurkutova, E.N.'
_publ_section_title
;
 Crystal structure of Co (N H4)2 (S O4)2 (H2 O)6
;
_journal_name_full               Kristallografiya
_journal_page_first              1124
_journal_page_last               1126
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'Co H20 N2 O14 S2'
_chemical_name_systematic        '(N H4)2 (Co (H2 O)6) (S O4)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 79
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.23
_cell_length_b                   12.41
_cell_length_c                   9.22
_cell_volume                     699.741
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Rau_KRISAJ_1972_787.cif
_cod_data_source_block           H20Co1N2O14S2
_cod_original_formula_sum        'H20 Co1 N2 O14 S2'
_cod_database_code               1525144
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
O7 O-2 0.963 0.11 0.839 1 0.0 2
O2 O-2 0.298 0.071 0.008 1 0.0 2
O5 O-2 0.224 0.076 0.55 1 0.0 0
Co1 Co+2 0 0 0 1 0.0 0
S1 S+6 0.259 0.136 0.409 1 0.0 0
O3 O-2 0.049 0.181 0.378 1 0.0 0
O4 O-2 0.415 0.23 0.411 1 0.0 0
O1 O-2 0.371 0.065 0.279 1 0.0 0
O6 O-2 0.838 0.108 0.175 1 0.0 2
N1 N-3 0.64 0.153 0.638 1 0.0 4
